4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione

C19H24N6O2 — CID 152981055

IUPAC4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione
SMILESNc1[nH]c(=O)nc2c1NC(=O)CN2Cc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H24N6O2/c20-17-16-18(23-19(27)22-17)25(12-15(26)21-16)11-14-6-4-5-13(9-14)10-24-7-2-1-3-8-24/h4-6,9H,1-3,7-8,10-12H2,(H,21,26)(H3,20,22,23,27)
InChIKeyUUJOCLAIPGNEEA-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione

4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione (PubChem CID 152981055) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione.

Molecular Properties

Compound Name4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione
PubChem CID152981055
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione
SMILESNc1[nH]c(=O)nc2c1NC(=O)CN2Cc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H24N6O2/c20-17-16-18(23-19(27)22-17)25(12-15(26)21-16)11-14-6-4-5-13(9-14)10-24-7-2-1-3-8-24/h4-6,9H,1-3,7-8,10-12H2,(H,21,26)(H3,20,22,23,27)
InChIKeyUUJOCLAIPGNEEA-UHFFFAOYSA-N
XLogP1.30
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(4-hydroxybutylsulfanyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 59359787
4-amino-2-(1-hydroxypentan-2-yloxy)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 145420802
4-amino-2-(oxolan-2-ylmethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46240739
4-amino-2-butoxy-8-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 90736981
4-amino-8-[dideuterio-[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-5,7-dihydropteridin-6-one
CID 157107779
4-amino-2-(2-methoxyethylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 91043801
4-amino-2-[(3R)-3-deuteriobutoxy]-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 159031779
4-amino-2-[(1R)-1-deuteriobutoxy]-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 159854627
4-amino-8-benzyl-2-iodo-5,7-dihydropteridin-6-one
CID 147196172
4-amino-2-butoxy-8-[[3-(1-deuterio-1-pyrrolidin-1-ylethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-(1-pyrrolidin-1-ylethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[2,3,4,6-tetradeuterio-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;methane
CID 161102267
4-amino-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 159031782
4-amino-2-(2,2-dimethylpropylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 149108631

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione?
The IUPAC name of 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione (CID 152981055) is 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione.
What is the SMILES notation for 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione?
The canonical SMILES for 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione is Nc1[nH]c(=O)nc2c1NC(=O)CN2Cc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione?
The InChIKey is UUJOCLAIPGNEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c20-17-16-18(23-19(27)22-17)25(12-15(26)21-16)11-14-6-4-5-13(9-14)10-24-7-2-1-3-8-24/h4-6,9H,1-3,7-8,10-12H2,(H,21,26)(H3,20,22,23,27).
What are the key properties of 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione?
4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione is sourced from PubChem (CID 152981055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).